N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide

C26H45N3O4S — CID 46088273

IUPACN,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide
SMILESCCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1
InChIInChI=1S/C26H45N3O4S/c1-5-8-9-10-11-12-13-14-15-26(30)28-20-18-27(19-21-28)24-22-23(16-17-25(24)33-4)34(31,32)29(6-2)7-3/h16-17,22H,5-15,18-21H2,1-4H3
InChIKeyGFGRPKYJKAWGNT-UHFFFAOYSA-N
MW495.73 g/mol
LogP4.91
Rot. Bonds15

About N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide

N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide (PubChem CID 46088273) has the molecular formula C26H45N3O4S and a molecular weight of 495.73 g/mol. Its IUPAC name is N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide
PubChem CID46088273
Molecular FormulaC26H45N3O4S
Molecular Weight495.73 g/mol
Exact Mass495.31
IUPAC NameN,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide
SMILESCCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1
InChIInChI=1S/C26H45N3O4S/c1-5-8-9-10-11-12-13-14-15-26(30)28-20-18-27(19-21-28)24-22-23(16-17-25(24)33-4)34(31,32)29(6-2)7-3/h16-17,22H,5-15,18-21H2,1-4H3
InChIKeyGFGRPKYJKAWGNT-UHFFFAOYSA-N
XLogP4.91
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.73
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-methoxy-3-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]benzenesulfonamide
CID 42691438
1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]undecan-1-one
CID 46088262
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
3-[4-(6-chlorohexanoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 46088655
ethyl 5-[4-[5-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfamoyl]-2-methoxyphenyl]piperazin-1-yl]-5-oxopentanoate
CID 46088651
N,N-diethyl-4-methoxy-3-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]benzenesulfonamide
CID 46088432
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 92645560
N-ethyl-4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 45372150
6-chloro-1-[4-[2-methoxy-5-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperazin-1-yl]hexan-1-one
CID 92759632
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817644
1-(3,4-dimethoxyphenyl)sulfonyl-4-hexanoylpiperazine-2-carboxylic acid
CID 70163415
ethyl 4-[4-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 46088258

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide (CID 46088273) is N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide is CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1.
What is the InChIKey of N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is GFGRPKYJKAWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O4S/c1-5-8-9-10-11-12-13-14-15-26(30)28-20-18-27(19-21-28)24-22-23(16-17-25(24)33-4)34(31,32)29(6-2)7-3/h16-17,22H,5-15,18-21H2,1-4H3.
What are the key properties of N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide?
N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 495.73 g/mol, XLogP of 4.91, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxy-3-(4-undecanoylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 46088273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).